General Information of the Compound
| Compound ID |
CP0546407
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3S)-5-(azepan-1-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Formula |
C32H48ClN5O4
|
||||||||||||||||||
| Molecular Weight |
602.22
|
||||||||||||||||||
| Canonical SMILES |
Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCCC1)CC(=O)NC1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H47N5O4.ClH/c1-40-28-15-10-16-29(41-2)31(28)27-22-26(35-37(27)25-13-5-6-14-25)32(39)34-24(21-30(38)33-23-11-9-12-23)17-20-36-18-7-3-4-8-19-36;/h10,15-16,22-25H,3-9,11-14,17-21H2,1-2H3,(H,33,38)(H,34,39);1H/t24-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GGNQITFXNQSVDB-JIDHJSLPSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound